%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Bioresmethrin CONF30 water 0 1 O -1.8495781558 2.2586266069 -0.1664525831 O -1.3819587273 1.5173081731 1.8931620485 O 2.4593096211 2.4752270154 0.3009795657 C -1.2093807750 -1.1187875038 0.1134744733 C -2.3129326546 -1.2060424078 1.1311818779 C -2.2255430023 0.0079284876 0.2394550899 C 0.2043844558 -0.9251485600 0.6093246227 C -1.2746880844 -1.9353648107 -1.1534843689 C -3.4681852858 -2.1141929747 0.9838280177 C -1.7896904719 1.3106667067 0.7726428775 C -4.0047366931 -2.8826681479 1.9379379130 C -5.2116486315 -3.7259804116 1.6527572221 C -3.4986454266 -2.9825207618 3.3444600183 C -1.0601158748 3.4460404390 0.0423464515 C 0.3732809098 3.0946957669 -0.1331043674 C 0.9944786553 2.6597921400 -1.3493023716 C 1.3114752216 2.9539132678 0.8312492287 C 2.2555424277 2.2907321735 -1.0294938881 C 3.3462286769 1.6488743735 -1.8088330524 C 3.3160026770 0.1488308116 -1.6283195923 C 3.9683898024 -0.4559924233 -0.5577127774 C 2.5759749252 -0.6466070409 -2.4989951818 C 3.8870652374 -1.8290322296 -0.3649538144 C 2.4945841779 -2.0194097170 -2.3100939405 C 3.1496117751 -2.6152248275 -1.2401608876 H -1.9789149060 -1.0350406163 2.1489903516 H -2.9329034844 0.0671304892 -0.5811615999 H 0.2590899116 -0.4119716338 1.5671786416 H 0.6824841397 -1.8981237727 0.7372549759 H 0.7977591252 -0.3602824932 -0.1135904759 H -2.2849863898 -2.0282638459 -1.5495158701 H -0.6583908030 -1.4778120945 -1.9299910770 H -0.8891964057 -2.9420863026 -0.9795531237 H -3.9342360928 -2.1343831673 0.0027076317 H -5.5583386370 -3.6165269584 0.6254190122 H -6.0382287444 -3.4607585838 2.3171405861 H -5.0029785127 -4.7842171969 1.8292987586 H -4.2450050857 -2.6098310178 4.0500856722 H -2.5746654360 -2.4372268003 3.5210777033 H -3.3215415202 -4.0268035706 3.6112443650 H -1.2581936761 3.8898074741 1.0182807563 H -1.4019276642 4.1415673280 -0.7217872787 H 0.5474130979 2.6175823117 -2.3303168567 H 1.3089820597 3.1505782599 1.8919526038 H 4.3161421931 2.0503263601 -1.5069469527 H 3.2072225960 1.9005780448 -2.8606133132 H 4.5489133212 0.1481837159 0.1294017422 H 2.0589383942 -0.1875308091 -3.3336017233 H 4.4020199737 -2.2854154329 0.4706077660 H 1.9195019686 -2.6237764939 -2.9998264656 H 3.0881151311 -3.6854052621 -1.0913956840 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Bioresmethrin CONF30 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Bioresmethrin CONF30 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Bioresmethrin CONF30 water 0 1